This web-based calculator estimates heats of reaction associated with thermal runway of layered metal oxide cathode materials based on the underlying thermodynamics for specific metal compositions, degrees of delithiation, and coexisting organic material (e.g. electrolyte solvent).
The web-based calculator is intended to provide a better experience for most users, while the spreadsheet-based calculator is suitable for customization by advanced users.
If you use this calculator to support analysis that is submitted for publication in any form, please cite this website and the articles listed below.
These thermodynamic calculations are explained in the following articles:
R. C. Shurtz and J. C. Hewson, J. Electrochem. Soc., 2020, 167, 090543
R. C. Shurtz, J. Electrochem. Soc., 2020, 167, 140544
The proper citation for this website is:
Shurtz, Randy C. (2021) "Lithium-ion Battery Thermodynamic Web Calculator," Sandia National Laboratories,
https://www.sandia.gov/ess-ssl/thermodynamic-web-calculator/
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